Ca(Pm2Ru)2
Alexandria ALEXAlex-ID: agm003458271 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1072_spg1
Pm5Ru2 Ca PmRu2
2022-02-16 09:29:38.721475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458271).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003458271
data_agm003458271
_cell_length_a 7.88403
_cell_length_b 6.53267
_cell_length_c 9.85746
_cell_angle_alpha 114.01006
_cell_angle_beta 117.52247
_cell_angle_gamma 79.14993
_cell_volume 411.28298
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca 0.21461 0.64698 0.53857 1.00000
Ca2 Ca 0.92639 0.85805 0.96138 1.00000
Pm1 Pm 0.96597 0.10159 0.38188 1.00000
Pm2 Pm 0.31482 0.52373 0.12145 1.00000
Pm3 Pm 0.73367 0.63564 0.53469 1.00000
Pm4 Pm 0.91469 0.20478 0.73494 1.00000
Pm5 Pm 0.44332 0.15257 0.37858 1.00000
Pm6 Pm 0.43005 0.21941 0.76515 1.00000
Pm7 Pm 0.44914 0.85080 0.96540 1.00000
Pm8 Pm 0.83398 0.46971 0.11813 1.00000
Ru1 Ru 0.61909 0.50357 0.74977 1.00000
Ru2 Ru 0.65294 0.80068 0.27146 1.00000
Ru3 Ru 0.63164 0.27924 0.22869 1.00000
Ru4 Ru 0.11968 0.50325 0.74991 1.00000
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